SCHEMBL5362289

SCHEMBL5362289

CC(C)(C)CC(N)C(=O)NC1(C#N)CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.46
CTSB P07858 10/20 0.46
CTSS P25774 10/20 0.46
CTSL P07711 6/20 0.45
CTSC P53634 2/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5357624 0.86 CTSB (0.49) CTSKCTSBCTSSCTSLCTSC
SCHEMBL5368741 0.85 CTSC (0.46) CTSKCTSBCTSSCTSLCTSC
SCHEMBL5365186 0.84 CTSB (0.51) CTSKCTSBCTSSCTSLCTSC
SCHEMBL5358029 0.83 CTSS (0.49) CTSKCTSBCTSSCTSLCTSC
SCHEMBL5357486 0.83 CTSS (0.47) CTSKCTSBCTSSCTSLCTSC
SCHEMBL5365734 0.82 SMN1; SMN2 (0.54) CTSKCTSBCTSSCTSLCTSC
SCHEMBL5356445 0.82 CTSK (0.49) CTSKCTSBCTSSCTSLCTSC
SCHEMBL5367127 0.81 CTSS (0.51) CTSKCTSBCTSSCTSLCTSC
SCHEMBL5364848 0.80 CTSC (0.43) CTSKCTSBCTSSCTSLCTSC
SCHEMBL6107842 0.80 CTSS (0.57) CTSKCTSBCTSSCTSL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279472-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-10-09 US disclosed
US-7265132-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-04 US disclosed
US-7056915-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
US-20050032772-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
US-6756372-B2 FOR THERAPY OF AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, RHEUMATOID ARTHRITIS, SYSTEMIC LUPUS ERYTHEMATOSUS, CROHN'S DISEASE, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, GUILLAIN-BARRE SYNDROME, PSORIASIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-29 US disclosed
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-04 US disclosed
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
EP-1218372-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2003-07-02 EP disclosed
US-6420364-B1 TREATING AUTOIMMUNE DISEASES,ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-16 US disclosed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050032772-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSK 2/4885CTSB 3/4885CTSS 1/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSK 2/4885CTSB 3/4885CTSS 1/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSK 2/4885CTSB 3/4885CTSS 1/4885
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSK 2/4885CTSB 3/4885CTSS 1/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSK 2/4885CTSB 3/4885CTSS 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.